SCHEMBL213252

SCHEMBL213252

CC(=O)N(CCON(C=O)c1ccc(-c2ccccc2)cn1)NCc1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
GBA1 P04062 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
EPHX2 P34913 1/20 0.33
HDAC3 O15379 2/20 0.32
ATM Q13315 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LMNA P02545 2/20 0.32
SLC6A9 P48067 1/20 0.32
HPGD P15428 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL213609 0.89 P2RX7 (0.35) EPHX2HDAC3HDAC1HDAC2HDAC6
SCHEMBL210702 0.88 NR3C1 (0.38) ROCK2ROCK1EPHX2HDAC3HDAC1
SCHEMBL212585 0.88 HTT (0.35) SMN1; SMN2EPHX2HDAC3HDAC1HDAC2
SCHEMBL210503 0.88 EPHX2 (0.33) ROCK2ROCK1EPHX2HDAC3HDAC1
SCHEMBL213948 0.86 SMN1; SMN2 (0.38) SMN1; SMN2EPHX2HDAC3HPGD
SCHEMBL210066 0.86 VNN1 (0.39) ROCK2ROCK1EPHX2HDAC3HDAC1
SCHEMBL209728 0.86 EPHX2 (0.37) EPHX2LMNA
SCHEMBL209578 0.85 ROCK2 (0.35) ROCK2ROCK1EPHX2HDAC3HDAC1
SCHEMBL210920 0.83 NPC1 (0.43) SMN1; SMN2LMNAHPGD
SCHEMBL210075 0.81 P2RX4 (0.34) SMN1; SMN2ROCK2LMNAHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 HIF1A 3543/4885SMN1; SMN2 252/4885GBA1 3801/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 HIF1A 3543/4885SMN1; SMN2 252/4885GBA1 3801/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 HIF1A 3543/4885SMN1; SMN2 252/4885GBA1 3801/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.